N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-(4-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Formula: C18H28N4OS MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CCN1CCCC1CNC(=S)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H28N4OS/c1-2-20-9-3-4-16(20)14-19-18(24)22-12-10-21(11-13-22)15-5-7-17(23)8-6-15/h5-8,16,23H,2-4,9-14H2,1H3,(H,19,24)